Chemical Properties of Propane, 2-(ethylthio)-2-methyl- (CAS 14290-92-7)

InChI

InChI=1S/C6H14S/c1-5-7-6(2,3)4/h5H2,1-4H3

InChI Key

GZJUDUMQICJSFJ-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CCSC(C)(C)C

Molecular Weight¹

118.24

CAS

14290-92-7

Other Names

• 1-(tert-Butylthio)ethane
• 2,2-Dimethyl-3-thiapentane
• 2-(Ethylthio)-2-methyl-propane
• Ethyl tert-butyl sulfide
• Sulfide, tert-butyl ethyl
• tert-Butyl ethyl sulfide
• tert-Butyl ethyl sulphide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4776.90 ± 2.10	kJ/mol	NIST
ΔfH°gas	-148.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-187.00 ± 2.00	kJ/mol	NIST
ΔfusH°	8.01	kJ/mol	Joback Calculated Property
ΔvapH°	[39.00; 39.30]	kJ/mol
ΔvapH°	39.30	kJ/mol	NIST
ΔvapH°	39.00 ± 1.00	kJ/mol	NIST
ΔvapH°	39.00	kJ/mol	NIST
IE	8.19	eV	Relay (1.0) Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Inp	[782.00; 792.00]
Inp	792.00		NIST
Inp	Outlier 782.00		NIST
Inp	792.00		NIST
Inp	792.00		NIST
Inp	792.00		NIST
Inp	792.00		NIST
Tboil	[390.30; 393.60]	K
Tboil	390.30 ± 2.00	K	NIST
Tboil	393.56 ± 0.30	K	NIST
Tboil	393.56 ± 0.30	K	NIST
Tboil	393.60 ± 0.30	K	NIST
Tboil	393.30 ± 0.40	K	NIST
Tfus	[184.20; 187.20]	K
Tfus	187.20 ± 0.20	K	NIST
Tfus	184.20 ± 0.20	K	NIST
VCOSTALD	0.43	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.28		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[37.10; 39.20]	kJ/mol	[356.50; 366.00]
ΔvapH	39.20	kJ/mol	356.50	NIST
ΔvapH	37.10	kJ/mol	366.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.81; 356.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.43900e+00
Coefficient B			6.94070e-01
Coefficient C			-4.34200e-04
Coefficient D			1.04500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.81	J/mol×K	273.00	Calculated Property
Cp,gas	188.39	J/mol×K	353.78	Calculated Property
Cp,gas	220.75	J/mol×K	434.56	Calculated Property
Cp,gas	249.23	J/mol×K	515.33	Calculated Property
Cp,gas	274.15	J/mol×K	596.11	Calculated Property
Cp,gas	295.84	J/mol×K	676.89	Calculated Property
Cp,gas	314.63	J/mol×K	757.67	Calculated Property
Cp,gas	330.86	J/mol×K	838.44	Calculated Property
Cp,gas	344.85	J/mol×K	919.22	Calculated Property
Cp,gas	356.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[290.85; 414.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50819e+01
Coefficient B			-3.55490e+03
Coefficient C			-5.05600e+01
Temperature range, min.			290.85
Temperature range, max.			414.40
Pvap	1.33	kPa	290.85	Calculated Property
Pvap	2.97	kPa	304.58	Calculated Property
Pvap	6.08	kPa	318.31	Calculated Property
Pvap	11.61	kPa	332.03	Calculated Property
Pvap	20.90	kPa	345.76	Calculated Property
Pvap	35.68	kPa	359.49	Calculated Property
Pvap	58.23	kPa	373.22	Calculated Property
Pvap	91.28	kPa	386.94	Calculated Property
Pvap	138.15	kPa	400.67	Calculated Property
Pvap	202.63	kPa	414.40	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-(ethylthio)-2-methyl-.

Sources

• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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